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Hydrocarbon Dehalogenation in a Tortuous Microreactor

Application ID: 2182

Removing halogen groups from hydrocarbons is an important reaction step in several chemical processes. One application is water purification. Other examples involve organic synthesis, where the removal of halogen groups serves as a starting point for carbon-carbon coupling reactions. Typically, the carbon-halogen bond scission is activated by precious metal catalysts based on platinum or palladium.

This model shows hydrocarbon dehalogenation as it occurs in a microreactor. The reactants are transported from the fluid bulk to the catalytic surfaces at the reactor walls, where they react. First you set up a space-independent model, analyzing two competing reactions, using the Reaction Engineering interface. Then, you export the reaction kinetics and set up and solve a space-dependent model of the microreactor.

This application was built using the following:

Chemical Reaction Engineering Module

The combination of COMSOL® products required to model your application depends on the physics interfaces that define it. Particular physics interfaces may be common to several products (see the Specification Chart for more details). To determine the right combination of products for your project, you should evaluate all of your needs in light of each product's capabilities, consultation with the COMSOL Sales and Support teams, and the use of an evaluation license.